1-isothiocyanato-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-isothiocyanato-3-(4-methylphenyl)propan-1-one Openeye Name: 3-(p-tolyl)propanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-(4-methylphenyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)propanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-(p-tolyl)propan-1-one Formula: C11H11NOS MolecularWeight: 205.27614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N=C=S

InChI

InChI=1S/C11H11NOS/c1-9-2-4-10(5-3-9)6-7-11(13)12-8-14/h2-5H,6-7H2,1H3